N-[[1-(aminomethyl)cyclohexyl]methyl]-4-fluoro-2-hydroxybenzamide

C15H21FN2O2 — CID 107017112

IUPACN-[[1-(aminomethyl)cyclohexyl]methyl]-4-fluoro-2-hydroxybenzamide
SMILESNCC1(CNC(=O)c2ccc(F)cc2O)CCCCC1
InChIInChI=1S/C15H21FN2O2/c16-11-4-5-12(13(19)8-11)14(20)18-10-15(9-17)6-2-1-3-7-15/h4-5,8,19H,1-3,6-7,9-10,17H2,(H,18,20)
InChIKeyUDVDHYAZCSPPQV-UHFFFAOYSA-N
MW280.34 g/mol
LogP2.17
Rot. Bonds4

About N-[[1-(aminomethyl)cyclohexyl]methyl]-4-fluoro-2-hydroxybenzamide

N-[[1-(aminomethyl)cyclohexyl]methyl]-4-fluoro-2-hydroxybenzamide (PubChem CID 107017112) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclohexyl]methyl]-4-fluoro-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclohexyl]methyl]-4-fluoro-2-hydroxybenzamide
PubChem CID107017112
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC NameN-[[1-(aminomethyl)cyclohexyl]methyl]-4-fluoro-2-hydroxybenzamide
SMILESNCC1(CNC(=O)c2ccc(F)cc2O)CCCCC1
InChIInChI=1S/C15H21FN2O2/c16-11-4-5-12(13(19)8-11)14(20)18-10-15(9-17)6-2-1-3-7-15/h4-5,8,19H,1-3,6-7,9-10,17H2,(H,18,20)
InChIKeyUDVDHYAZCSPPQV-UHFFFAOYSA-N
XLogP2.17
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-2-hydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide
CID 103830141
2-[1-[[(4-fluoro-2-hydroxybenzoyl)amino]methyl]cyclobutyl]acetic acid
CID 107013745
N-[[1-(aminomethyl)cyclohexyl]methyl]-2-fluoro-4-hydroxybenzamide
CID 107677827
N-[[1-(aminomethyl)cyclohexyl]methyl]-3-hydroxypyridine-4-carboxamide
CID 103970138
N-[[1-(aminomethyl)cyclohexyl]methyl]-2-hydroxy-5-methylbenzamide
CID 103970199
N-[[1-(aminomethyl)cyclohexyl]methyl]-3,4,5-trifluorobenzamide
CID 103970179
4-bromo-2-hydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide
CID 115701402
4-fluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-iodobenzamide
CID 104890921
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-fluoro-4-methylbenzamide
CID 115456835
N-[[1-(aminomethyl)cyclopentyl]methyl]-3,4-difluorobenzamide
CID 115365383
1-[(4-fluoro-2-hydroxybenzoyl)amino]cyclohexane-1-carboxylic acid
CID 107013377
N-(4-aminobutyl)-4-fluoro-2-hydroxybenzamide
CID 107012875

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclohexyl]methyl]-4-fluoro-2-hydroxybenzamide?
The IUPAC name of N-[[1-(aminomethyl)cyclohexyl]methyl]-4-fluoro-2-hydroxybenzamide (CID 107017112) is N-[[1-(aminomethyl)cyclohexyl]methyl]-4-fluoro-2-hydroxybenzamide.
What is the SMILES notation for N-[[1-(aminomethyl)cyclohexyl]methyl]-4-fluoro-2-hydroxybenzamide?
The canonical SMILES for N-[[1-(aminomethyl)cyclohexyl]methyl]-4-fluoro-2-hydroxybenzamide is NCC1(CNC(=O)c2ccc(F)cc2O)CCCCC1.
What is the InChIKey of N-[[1-(aminomethyl)cyclohexyl]methyl]-4-fluoro-2-hydroxybenzamide?
The InChIKey is UDVDHYAZCSPPQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c16-11-4-5-12(13(19)8-11)14(20)18-10-15(9-17)6-2-1-3-7-15/h4-5,8,19H,1-3,6-7,9-10,17H2,(H,18,20).
What are the key properties of N-[[1-(aminomethyl)cyclohexyl]methyl]-4-fluoro-2-hydroxybenzamide?
N-[[1-(aminomethyl)cyclohexyl]methyl]-4-fluoro-2-hydroxybenzamide has a molecular weight of 280.34 g/mol, XLogP of 2.17, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclohexyl]methyl]-4-fluoro-2-hydroxybenzamide is sourced from PubChem (CID 107017112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).